(E)-1-methoxyundec-3-en-2-one

C12H22O2 — CID 134946361

IUPAC(E)-1-methoxyundec-3-en-2-one
SMILESCCCCCCC/C=C/C(=O)COC
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-12(13)11-14-2/h9-10H,3-8,11H2,1-2H3/b10-9+
InChIKeyHCPWEHTVKSHIRT-MDZDMXLPSA-N
MW198.31 g/mol
LogP3.12
Rot. Bonds9

About (E)-1-methoxyundec-3-en-2-one

(E)-1-methoxyundec-3-en-2-one (PubChem CID 134946361) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-1-methoxyundec-3-en-2-one.

Molecular Properties

Compound Name(E)-1-methoxyundec-3-en-2-one
PubChem CID134946361
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-1-methoxyundec-3-en-2-one
SMILESCCCCCCC/C=C/C(=O)COC
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-12(13)11-14-2/h9-10H,3-8,11H2,1-2H3/b10-9+
InChIKeyHCPWEHTVKSHIRT-MDZDMXLPSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-hydroxydec-3-en-2-one
CID 171344515
ethyl (E)-2-oxoundec-3-enoate
CID 14944674
ethyl (E)-2-oxodec-3-enoate
CID 42643406
(E)-1-methoxynon-3-en-2-one
CID 12035689
(7E,15E)-1,4-dioxacyclooctadeca-7,15-diene-6,17-dione
CID 10286146
(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione
CID 10308747
Ethyl 2-oxononadec-3-enoate
CID 53864403
Ethyl 2-oxooctadec-3-enoate
CID 54362118
Ethyl 2-oxoundec-3-enoate
CID 85672119
1,4-Dioxacyclooctadeca-7,15-diene-6,17-dione
CID 85859245
[(E)-2-oxoheptadec-3-enyl] acetate
CID 87751584
1,4-Dioxacyclodocosa-7,19-diene-6,21-dione
CID 91166360

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyundec-3-en-2-one?
The IUPAC name of (E)-1-methoxyundec-3-en-2-one (CID 134946361) is (E)-1-methoxyundec-3-en-2-one.
What is the SMILES notation for (E)-1-methoxyundec-3-en-2-one?
The canonical SMILES for (E)-1-methoxyundec-3-en-2-one is CCCCCCC/C=C/C(=O)COC.
What is the InChIKey of (E)-1-methoxyundec-3-en-2-one?
The InChIKey is HCPWEHTVKSHIRT-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-12(13)11-14-2/h9-10H,3-8,11H2,1-2H3/b10-9+.
What are the key properties of (E)-1-methoxyundec-3-en-2-one?
(E)-1-methoxyundec-3-en-2-one has a molecular weight of 198.31 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyundec-3-en-2-one is sourced from PubChem (CID 134946361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).